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v4.0.0

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@mducle mducle released this 31 May 16:38
· 60 commits to master since this release
89c63fa

New Features

  • Add a function to output Mantid MDHistogramWorkspaces (sw_spec2MDHisto)
  • Add Python plotting of magnetic structure using vispy
  • Add mex files to compute main loop in spinwave() enabling a 2x - 4x speed up depending on system size
  • Add python wrapper for all Matlab functions so e.g. sw_plotspec etc can be called without the m. prefix in pyspinw:q

Improvements

  • Replace spinwavefast() method with a new fastmode option in the main spinwave() method to reduce confusion
  • Adds a neutron_output option to spinwave() to compute only the neutron (Sperp) cross-section and not the full spin-spin correlation tensor, saving memory

Bug Fixes

  • Corrects equation for Q-range from thetaMin in sw_instrument and add thetaMax option
  • Fixes sw_issymspec to recognise powder spectra
  • Fixes a parsing error in the spinw.fourier method if no sublat option given.
  • Fixes several bugs in sw_plotspec where it ignores user options in 'auto' mode, and where it inverts user supplied colormaps.
  • Fixes several bugs in .fitspec() for handling twins and where it only outputs the final chi^2 values.